| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:28 UTC |
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| Update Date | 2025-03-25 01:01:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252721 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O4 |
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| Molecular Mass | 236.0797 |
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| SMILES | NC(CCn1c(=O)oc2ccccc21)C(=O)O |
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| InChI Key | SSRZLRDNBXGYRG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzoxazoles |
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| Subclass | benzoxazolones |
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| Direct Parent | benzoxazolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
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| Substituents | carbonyl groupcarboxylic acidoxazolealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazolecarbonic acid derivativeazacycleheteroaromatic compoundbenzoxazoloneoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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